7MH9
Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-nitrotyrosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2019-02-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.19499 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 141.210, 141.210, 187.590 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.070 - 3.100 |
R-factor | 0.1711 |
Rwork | 0.169 |
R-free | 0.20520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CHLROTYROSINE MODEL |
RMSD bond length | 0.007 |
RMSD bond angle | 2.218 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.070 | 39.070 | 3.180 |
High resolution limit [Å] | 3.100 | 13.860 | 3.100 |
Rmerge | 0.347 | 0.067 | 1.533 |
Rmeas | 0.358 | 0.069 | 1.580 |
Total number of observations | 661446 | ||
Number of reflections | 39799 | 484 | 2919 |
<I/σ(I)> | 7.18 | 27.29 | 1.63 |
Completeness [%] | 99.9 | 94 | 100 |
Redundancy | 16.62 | 15.289 | 17.05 |
CC(1/2) | 0.994 | 0.999 | 0.706 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1 M potassium phosphate, 3.5% 1,2,3-heptanetriol, and 0.1% LDAO precipitant solution; 1.4-1.5 M potassium phosphate reservoir solution, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |